General Information of the Compound
| Compound ID |
CP0448001
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 2-[4-chloro-5-(4-methoxyphenoxy)-6-oxopyridazin-1-yl]-2-naphthalen-1-ylacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21ClN2O5
|
||||||||||||||||||
| Molecular Weight |
464.905
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C(c1cccc2ccccc12)n1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21ClN2O5/c1-3-32-25(30)22(20-10-6-8-16-7-4-5-9-19(16)20)28-24(29)23(21(26)15-27-28)33-18-13-11-17(31-2)12-14-18/h4-15,22H,3H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NAJGWZIIQRHNBI-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound